Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17532
- Core Entity Id
- 22658
- Source Entity Count
- 1
- Preferred Name
- Dolineone
- Name En
- Pubchem Id
- 5316959
- Smiles Canonical
- C1C2C(C3=CC4=C(C=C3O1)OCO4)C(=O)C5=C(O2)C=C6C(=C5)C=CO6
- Molecular Formula
- C19H12O6
- Molecular Weight
- 336.2990
- Inchikey
- RAJDDCCSNZAPCH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H12O6/c20-19-11-3-9-1-2-21-12(9)5-14(11)25-17-7-22-13-6-16-15(23-8-24-16)4-10(13)18(17)19/h1-6,17-18H,7-8H2
- Isomeric Smiles
- C1C2C(C3=CC4=C(C=C3O1)OCO4)C(=O)C5=C(O2)C=C6C(=C5)C=CO6
- Cas Id
- Ob Score
- Mol Logp
- 3.2814
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dolineone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dolineone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dolineone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
dolineone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7,11,14,18-pentaoxahexacyclo(11.11.0.02,10.04,8.015,23.017,21)tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6a,13a-Dihydro-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one, 9CI
Role
alias
Source
itcmdb_public
Preferred
No
Name
6a,13a-Dihydro-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one, 9CI
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174526
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174526
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dolichone
Role
alias
Source
HERB_v2
Preferred
No
Name
Dolichone
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12060008
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12060008
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL20138476
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL20138476
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,7,11,14,18-pentaoxahexacyclo(11.11.0.02,10.04,8.015,23.017,21)tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one6a,13a-Dihydro-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one, 9CICHEBI:174526DolichoneLMPK12060008SCHEMBL20138476
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024403
Npass
NPC142845
Tcmid
6550
Pub Chem
5316959
Tcmbank
TCMBANKIN001377
Etcm Ingredient
Dolineone
Itcmdb Generated
ITX-INGREDIENT-807F4A250D43
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H12O6/c20-19-11-3-9-1-2-21-12(9)5-14(11)25-17-7-22-13-6-16-15(23-8-24-16)4-10(13)18(17)19/h1-6,17-18H,7-8H2
Mol Wt
336.299
Smiles
C1C2C(C3=CC4=C(C=C3O1)OCO4)C(=O)C5=C(O2)C=C6C(=C5)C=CO6
Mol Log P
3.281400000000001
In Ch Ikey
RAJDDCCSNZAPCH-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.628
Num Hacceptors
6
Isomeric Smiles
C1C2C(C3=CC4=C(C=C3O1)OCO4)C(=O)C5=C(O2)C=C6C(=C5)C=CO6
Canonical Smiles
C1C2C(C3=CC4=C(C=C3O1)OCO4)C(=O)C5=C(O2)C=C6C(=C5)C=CO6
Herb Alias Names
Dolichone5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one6a,13a-Dihydro-1,3-dioxolo[6,7][1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one, 9CI5,7,11,14,18-pentaoxahexacyclo(11.11.0.02,10.04,8.015,23.017,21)tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one6a,13a-Dihydro-1,3-dioxolo(6,7)(1)benzopyrano(3,4-b)furo(3,2-g)(1)benzopyran-13(6H)-one, 9ciSCHEMBL20138476CHEBI:174526LMPK12060008
Molecular Weight
336.060
Molecular Weight
336.3 g/mol
Molecular Formula
C19H12O6
Molecular Formula
C19H12O6
Molecular Formula
C19H12O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.749
Quantitative Estimate Of Drug Likeness（Qed）
0.628